Information card for entry 7710220

Structure parameters

• Common name: 4ea
• Formula: C31 H24 N O P Si
• Calculated formula: C31 H24 N O P Si
• Title of publication: Phosphorus or nitrogen – the first phosphatriptycene in coordination polymer chemistry
• Authors of publication: Gildenast, Hans; Gruszien, Lukas; Friedt, Felix; Englert, Ulli
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.9479 ± 0.0003 Å
• b: 21.8833 ± 0.0008 Å
• c: 14.4641 ± 0.0005 Å
• α: 90°
• β: 90.065 ± 0.003°
• γ: 90°
• Cell volume: 2515.69 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No